methyl 3,5-bis(chloranyl)-2-[2-(4-phenylpiperazin-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 3,5-bis(chloranyl)-2-[2-(4-phenylpiperazin-1-yl)ethanoylamino]benzoate Openeye Name: methyl 3,5-dichloro-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzoate CAS Name: 3,5-dichloro-2-[[1-oxo-2-(4-phenyl-1-piperazinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3,5-dichloro-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzoate Traditional Name: 3,5-dichloro-2-[[2-(4-phenylpiperazino)acetyl]amino]benzoic acid methyl ester Formula: C20H21Cl2N3O3 MolecularWeight: 422.30504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1NC(=O)CN2CCN(CC2)C3=CC=CC=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1NC(=O)CN2CCN(CC2)C3=CC=CC=C3)Cl)Cl

InChI

InChI=1S/C20H21Cl2N3O3/c1-28-20(27)16-11-14(21)12-17(22)19(16)23-18(26)13-24-7-9-25(10-8-24)15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H,23,26)